[gmx-users] multinode issue

Éric Germaneau germaneau at sjtu.edu.cn
Fri Dec 5 09:16:13 CET 2014

Dear all,

I use impi and when I submit o job (via LSF) to more than one node I get 
the following message:

    Number of CPUs detected (16) does not match the number reported by
    OpenMP (1).
    Consider setting the launch configuration manually!
    Reading file test184000atoms_verlet.tpr, VERSION 4.6.2 (single
    [16:node319] unexpected disconnect completion event from [11:node328]
    Assertion failed in file ../../dapl_conn_rc.c at line 1179: 0
    internal ABORT - process 16

I submit doing

    mpirun -np 32 -machinefile nodelist $EXE -v -deffnm $INPUT

The machinefile looks like this


I'm running the release 4.6.7.
I do not set anything about OpenMP for this job, I'd like to have 32 MPI 

Using one node it works fine.
Any hints here?


Éric Germaneau (艾海克), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
M:germaneau at sjtu.edu.cn P:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn

More information about the gromacs.org_gmx-users mailing list